2,2-diethyl-N,N-dimethyladamantan-1-amine

C16H29N — CID 71450361

IUPAC2,2-diethyl-N,N-dimethyladamantan-1-amine
SMILESCCC1(CC)C2CC3CC(C2)CC1(N(C)C)C3
InChIInChI=1S/C16H29N/c1-5-15(6-2)14-8-12-7-13(9-14)11-16(15,10-12)17(3)4/h12-14H,5-11H2,1-4H3
InChIKeyUJOAOIJAOPUIOZ-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.93
Rot. Bonds3

About 2,2-diethyl-N,N-dimethyladamantan-1-amine

2,2-diethyl-N,N-dimethyladamantan-1-amine (PubChem CID 71450361) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2,2-diethyl-N,N-dimethyladamantan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N,N-dimethyladamantan-1-amine
PubChem CID71450361
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2,2-diethyl-N,N-dimethyladamantan-1-amine
SMILESCCC1(CC)C2CC3CC(C2)CC1(N(C)C)C3
InChIInChI=1S/C16H29N/c1-5-15(6-2)14-8-12-7-13(9-14)11-16(15,10-12)17(3)4/h12-14H,5-11H2,1-4H3
InChIKeyUJOAOIJAOPUIOZ-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-diethyl-N,N-dimethyladamantan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 19478
CID 19478
CID 3010127
CID 3010127
CID 71459394
CID 71459394
CID 5276624
CID 5276624
CID 71450359
CID 71450359
CID 71455732
CID 71455732
CID 71459393
CID 71459393
CID 71461153
CID 71461153
CID 71462890
CID 71462890
CID 512345
CID 512345
CID 513037
CID 513037
CID 3010143
CID 3010143

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N,N-dimethyladamantan-1-amine?
The IUPAC name of 2,2-diethyl-N,N-dimethyladamantan-1-amine (CID 71450361) is 2,2-diethyl-N,N-dimethyladamantan-1-amine.
What is the SMILES notation for 2,2-diethyl-N,N-dimethyladamantan-1-amine?
The canonical SMILES for 2,2-diethyl-N,N-dimethyladamantan-1-amine is CCC1(CC)C2CC3CC(C2)CC1(N(C)C)C3.
What is the InChIKey of 2,2-diethyl-N,N-dimethyladamantan-1-amine?
The InChIKey is UJOAOIJAOPUIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-5-15(6-2)14-8-12-7-13(9-14)11-16(15,10-12)17(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2,2-diethyl-N,N-dimethyladamantan-1-amine?
2,2-diethyl-N,N-dimethyladamantan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N,N-dimethyladamantan-1-amine is sourced from PubChem (CID 71450361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).